[(1S,4R)-4-[(1E,3E,5E,7Z,9E,11E,13E,15E)-18-[(4S)-4-acetyloxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-4-hydroxy-3,5,5-trimethyl-1-cyclohex-2-enyl] acetate
Molecular Formula:
C44H58O5
InChI: InChI=1/C44H58O5/c1-31(19-15-21-33(3)23-24-41-35(5)27-39(48-37(7)45)29-42(41,9)10)17-13-14-18-32(2)20-16-22-34(4)25-26-44(47)36(6)28-40(49-38(8)46)30-43(44,11)12/h13-22,25-26,28,39-40,47H,27,29-30H2,1-12H3/b14-13+,19-15+,20-16+,26-25+,31-17+,32-18-,33-21+,34-22+/t39-,40-,44+/m1/s1
InChIKey: InChIKey=VOMCEVILMPBNGJ-VLWQCOKVBG
SMILES: CC1=C(C(CC(C1)OC(=O)C)(C)C)C#CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2(C(=CC(CC2(C)C)OC(=O)C)C)O)C)C
Names:
[(1S,4R)-4-[(1E,3E,5E,7Z,9E,11E,13E,15E)-18-[(4S)-4-acetyloxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-4-hydroxy-3,5,5-trimethyl-1-cyclohex-2-enyl] acetate
Registries:
PubChem CID 10556363
PubChem ID 15583374
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